SCHEMBL905930

SCHEMBL905930

C=CCCC(=O)OCC=C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
EPHX2 P34913 1/20 0.38
ABCC4 O15439 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL56403 0.87 TSHR (0.63) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL6050165 0.86 TSHR (0.63) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL9719094 0.86 TSHR (0.53) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL28545578 0.85 TSHR (0.61) TSHRPKMSMN1; SMN2ALDH1A1GAA
Ammonia Solution, Strong SCHEMBL29207431 0.85 TSHR (0.61) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5439764 0.85 ALDH1A1 (0.43) TSHRPKMSMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL30639520 0.85 TSHR (0.52) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL6050047 0.85 TSHR (0.67) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL463195 0.83 TSHR (0.70) TSHRPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL11330333 0.83 ALDH1A1 (0.42) TSHRSMN1; SMN2ALDH1A1TDP1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109580831-B Method for measuring related substances of sodium valproate oral solution 四川健能制药有限公司 2022-05-13 CN claimed
CN-102639568-A Functionalized polymers and methods for their manufacture BRIDGESTONE CORP 2012-08-15 CN claimed
CN-101393181-B Method for determining related substances in divalproex sodium SHAANXI DAY DRUG RES AND DEV LTD 2012-04-25 CN claimed
CN-101393181-A Method for measuring relative material of sodium divalproate SHAANXI DAY DRUG RES AND DEV L (CN) 2009-03-25 CN claimed
EP-1232008-B1 PROCESS TO SEPARATE A RHODIUM/PHOSPHITE LIGAND COMPLEX AND FREE PHOSPHITE LIGAND COMPLEX FROM A HYDROFORMYLATION MIXTURE DSM NV (NL) 2003-07-23 EP claimed
JP-2003514877-A 2003-04-22 JP claimed
US-20030018210-A1 Flux improvement by diluting the high boiler hydroformylation purge mixture with methylvalerate DSM N.V. (NL) 2003-01-23 US claimed
WO-2002083618-A1 CONTINUOUS HYDROFORMYLATION PROCESS FOR FORMING AN ALDEHYDE DSM IP ASSETS B.V. (NL) 2002-10-24 WO claimed
EP-1251122-A1 Process for the preparation of epsilon-Caprolactam DSM N.V. (NL) 2002-10-23 EP claimed
EP-1249444-A1 Continuous hydroformylation process for forming an aldehyde DSM N.V. (NL) 2002-10-16 EP claimed
US-5523453-A USING NICKEL COMPLEX CATALYST AND LEWIS ACID PROMOTER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-06-04 US claimed
US-5512695-A Bidentate phosphite and nickel catalyst compositions for hydrocyanation of monoolefins E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-30 US claimed
WO-1995028228-A1 BIDENTATE PHOSPHITE AND NICKEL CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-10-26 WO claimed
WO-1995014659-A1 PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-06-01 WO claimed
US-5304597-A Impact resistance ECP ENICHEM POLIMERI S.R.L. (IT) 1994-04-19 US claimed
WO-1993012056-A1 HYDROCARBON LUBRICANTS CONTAINING POLAR GROUPS MOBIL OIL CORPORATION (US) 1993-06-24 WO claimed
US-5191104-A Complex catalysts UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-02 US claimed
EP-0478074-A2 Alkoxylation of carboxylated compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-04-01 EP claimed
US-5095165-A Hydrocarbon lubricants containing polar groups MOBIL OIL CORPORATION (US) 1992-03-10 US claimed
EP-0471973-A2 Thermoplastic compositions based on vinyl-aromatic graft copolymer and polyamide ENICHEM S.p.A. (IT) 1992-02-26 EP claimed